3-(3-chloranyl-2-methyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C21H21ClN2O2S/c1-13-15(22)9-7-11-17(13)24-19(26)14-8-5-6-10-16(14)23-20(24)27-12-18(25)21(2,3)4/h5-11H,12H2,1-4H3